SCHEMBL5881677

SCHEMBL5881677

N#Cc1ccc(NCC2CC2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PTGER4 P35408 3/20 0.48
▸ EGLN2 Q96KS0 3/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ MAP2K1 Q02750 2/20 0.38
▸ TTK P33981 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ CHUK O15111 1/20 0.36
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ KDM1A O60341 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4464361 0.93 KDM4E (0.49) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL4243128 0.88 KDM4E (0.42) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL31200412 0.85 PTGER4 (0.51) KDM4EALDH1A1GAAPTGER4JAK2
SCHEMBL27171156 0.85 EGLN2 (0.47) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL27171158 0.85 EGLN2 (0.47) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL29585778 0.85 EGLN2 (0.47) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL24306243 0.82 ALDH1A1 (0.48) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL29586014 0.82 ALDH1A1 (0.48) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL26914375 0.82 ALDH1A1 (0.48) KDM4EALDH1A1GAAPTGER4EGLN2
SCHEMBL3054224 0.78 CNR2 (0.52) EGLN2JAK2JAK1TYK2CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135554-A1 Novel compounds ASTRAZENECA AB (SE) 2006-06-22 — — US disclosed
US-7030139-B2 Compounds ASTRAZENECA AB (SE) 2006-04-18 — — US disclosed
CN-1250531-C Novel compounds ASTRAZENECA AB (SE) 2006-04-12 — — CN disclosed
US-20040116465-A1 Novel compounds ASTRAZENECA AB (SE) 2004-06-17 — — US disclosed
CN-1503787-A Novel compounds — 2004-06-09 — — CN disclosed
EP-1390350-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-02-25 — — EP disclosed
WO-2002085866-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135554-A1 Novel compounds OPRL1, OPRK1, TRPV1 KDM4E 4683/4885ALDH1A1 1314/4885GAA 697/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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